SCHEMBL4679568

SCHEMBL4679568

CC(C)(C)OC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
STAT1 P42224 1/20 0.41
PTGS2 P35354 6/20 0.41
TRPV1 Q8NER1 3/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
AGTR1 P30556 1/20 0.40
DHODH Q02127 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4740159 0.85 PTGS2 (0.49) STAT3PTGDR2STAT1PTGS2TRPV1
SCHEMBL5483536 0.80 CNR1 (0.41) NPC1ALDH1A1LMNAPOLBGAA
SCHEMBL5483533 0.77 CNR2 (0.46) NPC1MAPTCNR2
SCHEMBL4677223 0.75 CNR1 (0.44) PTGDR2NPC1ALDH1A1LMNAPOLB
SCHEMBL5458659 0.74 GABRA5 (0.45) NPC1CNR2
SCHEMBL4678614 0.73 CNR1 (0.44) MAPTCNR2
SCHEMBL4680498 0.73 HTT (0.48) ALDH1A1DHODHCNR2
SCHEMBL5754645 0.72 GABRA5 (0.43) MAPTCNR2
SCHEMBL4684369 0.72 CNR1 (0.53) ALDH1A1CNR2
SCHEMBL4681440 0.72 CNR1 (0.56) AGTR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP claimed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US claimed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP claimed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO claimed
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH STAT3 2979/4885PTGDR2 305/4885STAT1 4191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.